. . . "IAB4040201" . . "Modelov\u00E1n\u00ED metalocenov\u00FDch katalyz\u00E1tor\u016F v plynn\u00E9 f\u00E1zi" . "Metallocene based complexes with organyl ligands will be prepared and their reactivity will be studied in the gas phase. Methods of the gas-phase ion chemistry will be utilized for synthesis of variety of organometallic ions as models of selected types of real catalysts. Their structural properties will be studied by tandem mass spectrometry. Reactivity of these ions with various olefins and acetylenes in the gas phase will bestudied directly in the ion source of the mass spectrometer or in thequadrupole collision cell in hybrid tandem mass spectrometer. The goal of the proposed research is to prepare diverse titanium- and zirconium-based metallocene ions in the gas phase and explore their intrinsic reactivities depending on their internal energies, nature of the metal atom and size and electronic properties of the ligands in order to obtain new information which may help to understand the fundamental processes in organometallic catalysis and design a new catalysts."@en . " organometallic ions" . . "Modeling metallocene catalysts in the gaseous phase"@en . " ion-molecule reactions" . "metallocenes" . "Metodami hm. spektrometrie a kvantov\u00E9 chemie byly z\u00EDsk\u00E1ny nov\u00E9 poznatky o struktu\u0159e a reaktivit\u011B titanocenu a jeho jednoduch\u00FDch model\u016F v plynn\u00E9 f\u00E1zi. Pou\u017Eit\u00E1 kombinace metod umo\u017Enila detailn\u00ED pohled na reak\u010Dn\u00ED mechanismy, nedostupn\u00E9 klasick\u00FDm p\u0159\u00EDstupem."@cs . . . . " gas-phase ion chemistry" . . . "2007-09-26+02:00"^^ . . . "V r\u00E1mci p\u0159edkl\u00E1dan\u00E9ho projektu budou p\u0159ipraveny metalocenov\u00E9 komplexy s organylov\u00FDmi ligandy a bude studov\u00E1na jejich reaktivita v plynn\u00E9 f\u00E1zi. P\u0159i synt\u00E9ze organokovov\u00FDch iont\u016F jako model\u016F vybran\u00FDch typ\u016F katalyz\u00E1tor\u016F budou vyu\u017E\u00EDv\u00E1ny metody chemie iont\u016F v plynn\u00E9 f\u00E1zi. Jejich struktura bude studov\u00E1na metodami tandemov\u00E9 hmotnostn\u00ED spektrometrie. Reaktivita t\u011Bchto iont\u016F s r\u016Fzn\u00FDmi olef\u00EDny a acetyl\u00E9ny bude studov\u00E1na p\u0159\u00EDmo v iontov\u00E9m zdroji hmotnostn\u00EDho spektrometru nebo v kvadrup\u00F3lov\u00E9 sr\u00E1\u017Ekov\u00E9 komo\u0159e hybridn\u00EDho tandemov\u00E9ho hmotnostn\u00EDho spektrometru. C\u00EDlem navrhovan\u00E9ho v\u00FDzkumu je p\u0159\u00EDprava r\u016Fzn\u00FDch organokovov\u00FDch iont\u016F s obsahem titanu a zirkonia v plynn\u00E9 f\u00E1zi a v\u00FDzkum jejich reaktivity v z\u00E1vislosti na jejich vnit\u0159n\u00ED energii, povaze kovov\u00E9ho atomu a velikosti a elektronick\u00FDch vlastnostech ligand\u016F za \u00FA\u010Delem z\u00EDsk\u00E1n\u00ED nov\u00FDch poznatk\u016F, kter\u00E9 mohou pomoci porozum\u011Bt element\u00E1rn\u00EDm proces\u016Fm v organokovov\u00E9 katal\u00FDze a p\u0159i navrhov\u00E1n\u00ED nov\u00FDch katalyz\u00E1tor\u016F." . "http://www.isvav.cz/projectDetail.do?rowId=IAB4040201"^^ . . . . . . . "Using methods of mass spectrometry and quantum chemistry, data has been obtained about the structure and reactivity of titanocene and its simple models in the gas phase. Combination of these methods allowed a detail insight into the reaction mechanisms."@en . "0"^^ . "metallocenes; organometallic ions; gas-phase ion chemistry; ion-molecule reactions; mass spectrometry"@en . "0"^^ . "2"^^ . "2"^^ . . "1"^^ . .